28,099 research outputs found

    A finite field approach to solving the Bethe Salpeter equation

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    We present a method to compute optical spectra and exciton binding energies of molecules and solids based on the solution of the Bethe-Salpeter equation (BSE) and the calculation of the screened Coulomb interaction in finite field. The method does not require the explicit evaluation of dielectric matrices nor of virtual electronic states, and can be easily applied without resorting to the random phase approximation. In addition it utilizes localized orbitals obtained from Bloch states using bisection techniques, thus greatly reducing the complexity of the calculation and enabling the efficient use of hybrid functionals to obtain single particle wavefunctions. We report exciton binding energies of several molecules and absorption spectra of condensed systems of unprecedented size, including water and ice samples with hundreds of atoms

    The Gamow-Teller Resonance in Finite Nuclei in the Relativistic Random Phase Approximation

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    Gamow-Teller(GT) resonances in finite nuclei are studied in a fully consistent relativistic random phase approximation (RPA) framework. A relativistic form of the Landau-Migdal contact interaction in the spin-isospin channel is adopted. This choice ensures that the GT excitation energy in nuclear matter is correctly reproduced in the non-relativistic limit. The GT response functions of doubly magic nuclei 48^{48}Ca, 90^{90}Zr and 208^{208}Pb are calculated using the parameter set NL3 and g0g_0'=0.6 . It is found that effects related to Dirac sea states account for a reduction of 6-7 % in the GT sum rule.Comment: 9 pages, 1 figur

    Communication Lower Bounds for Statistical Estimation Problems via a Distributed Data Processing Inequality

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    We study the tradeoff between the statistical error and communication cost of distributed statistical estimation problems in high dimensions. In the distributed sparse Gaussian mean estimation problem, each of the mm machines receives nn data points from a dd-dimensional Gaussian distribution with unknown mean θ\theta which is promised to be kk-sparse. The machines communicate by message passing and aim to estimate the mean θ\theta. We provide a tight (up to logarithmic factors) tradeoff between the estimation error and the number of bits communicated between the machines. This directly leads to a lower bound for the distributed \textit{sparse linear regression} problem: to achieve the statistical minimax error, the total communication is at least Ω(min{n,d}m)\Omega(\min\{n,d\}m), where nn is the number of observations that each machine receives and dd is the ambient dimension. These lower results improve upon [Sha14,SD'14] by allowing multi-round iterative communication model. We also give the first optimal simultaneous protocol in the dense case for mean estimation. As our main technique, we prove a \textit{distributed data processing inequality}, as a generalization of usual data processing inequalities, which might be of independent interest and useful for other problems.Comment: To appear at STOC 2016. Fixed typos in theorem 4.5 and incorporated reviewers' suggestion
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